7CFW
Crystal structure of the receiver domain of sensor histidine kinase PA1611 (PA1611REC) from Pseudomonas aeruginosa PAO1 with calcium ion coordinated in the active site cleft
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2017-05-25 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 55.065, 55.065, 68.957 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.860 - 1.310 |
| R-factor | 0.17808 |
| Rwork | 0.176 |
| R-free | 0.21284 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2r25 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.784 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.360 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Rmerge | 0.096 | 1.036 |
| Rmeas | 0.104 | 1.113 |
| Rpim | 0.039 | 0.405 |
| Number of reflections | 27872 | 2739 |
| <I/σ(I)> | 16 | 2.42 |
| Completeness [%] | 94.0 | 93.8 |
| Redundancy | 7.3 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG 8000, Ca(OAc)2, Imidazole-HCl |
